5-benzyl-4-(cyclopropanecarbonyl)-1-(4-methylphenyl)piperazin-2-one

C22H24N2O2 — CID 70728334

IUPAC5-benzyl-4-(cyclopropanecarbonyl)-1-(4-methylphenyl)piperazin-2-one
SMILESCc1ccc(N2CC(Cc3ccccc3)N(C(=O)C3CC3)CC2=O)cc1
InChIInChI=1S/C22H24N2O2/c1-16-7-11-19(12-8-16)23-14-20(13-17-5-3-2-4-6-17)24(15-21(23)25)22(26)18-9-10-18/h2-8,11-12,18,20H,9-10,13-15H2,1H3
InChIKeyPJPMJQFQLUTEMM-UHFFFAOYSA-N
MW348.45 g/mol
LogP3.19
Rot. Bonds4

About 5-benzyl-4-(cyclopropanecarbonyl)-1-(4-methylphenyl)piperazin-2-one

5-benzyl-4-(cyclopropanecarbonyl)-1-(4-methylphenyl)piperazin-2-one (PubChem CID 70728334) has the molecular formula C22H24N2O2 and a molecular weight of 348.45 g/mol. Its IUPAC name is 5-benzyl-4-(cyclopropanecarbonyl)-1-(4-methylphenyl)piperazin-2-one.

Molecular Properties

Compound Name5-benzyl-4-(cyclopropanecarbonyl)-1-(4-methylphenyl)piperazin-2-one
PubChem CID70728334
Molecular FormulaC22H24N2O2
Molecular Weight348.45 g/mol
Exact Mass348.18
IUPAC Name5-benzyl-4-(cyclopropanecarbonyl)-1-(4-methylphenyl)piperazin-2-one
SMILESCc1ccc(N2CC(Cc3ccccc3)N(C(=O)C3CC3)CC2=O)cc1
InChIInChI=1S/C22H24N2O2/c1-16-7-11-19(12-8-16)23-14-20(13-17-5-3-2-4-6-17)24(15-21(23)25)22(26)18-9-10-18/h2-8,11-12,18,20H,9-10,13-15H2,1H3
InChIKeyPJPMJQFQLUTEMM-UHFFFAOYSA-N
XLogP3.19
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.45
LogP ≤ 53.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4-[(5S)-5-benzyl-4-(cyclopropanecarbonyl)-2-oxopiperazin-1-yl]benzonitrile
CID 96576886
5-benzyl-1-(4-methylphenyl)-4-(2-methylpropanoyl)piperazin-2-one
CID 70749410
(5S)-4-(cyclopropanecarbonyl)-5-methyl-1-(4-methylphenyl)piperazin-2-one
CID 96576154
5-benzyl-1-(4-methylphenyl)-4-(2-oxo-1,3-dihydroimidazole-4-carbonyl)piperazin-2-one
CID 70729103
4-(cyclopentanecarbonyl)-5-methyl-1-(4-methylphenyl)piperazin-2-one
CID 70743002
4-(4-benzylpiperidine-1-carbonyl)-1-(4-methylphenyl)pyrrolidin-2-one
CID 2963137
1-[2-methyl-4-(4-methylphenyl)-5-oxopiperazin-1-yl]-4-phenylbutane-1,2-dione
CID 70725997
4-(2-aminoacetyl)-5-benzyl-1-(3-phenylphenyl)piperazin-2-one
CID 70738705
(5R)-4-[2-(3-hydroxyphenyl)acetyl]-5-methyl-1-(4-methylphenyl)piperazin-2-one
CID 96580506
(5R)-5-benzyl-1-(3-methoxyphenyl)-4-(1-methylcyclopropanecarbonyl)piperazin-2-one
CID 96578517
(3S)-1-(4-methylphenyl)-5-oxopyrrolidine-3-carboxylic acid
CID 778085
5-methyl-1-(4-methylphenyl)-4-(3-methylsulfonylpropanoyl)piperazin-2-one
CID 70759970

Frequently Asked Questions

What is the IUPAC name of 5-benzyl-4-(cyclopropanecarbonyl)-1-(4-methylphenyl)piperazin-2-one?
The IUPAC name of 5-benzyl-4-(cyclopropanecarbonyl)-1-(4-methylphenyl)piperazin-2-one (CID 70728334) is 5-benzyl-4-(cyclopropanecarbonyl)-1-(4-methylphenyl)piperazin-2-one.
What is the SMILES notation for 5-benzyl-4-(cyclopropanecarbonyl)-1-(4-methylphenyl)piperazin-2-one?
The canonical SMILES for 5-benzyl-4-(cyclopropanecarbonyl)-1-(4-methylphenyl)piperazin-2-one is Cc1ccc(N2CC(Cc3ccccc3)N(C(=O)C3CC3)CC2=O)cc1.
What is the InChIKey of 5-benzyl-4-(cyclopropanecarbonyl)-1-(4-methylphenyl)piperazin-2-one?
The InChIKey is PJPMJQFQLUTEMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N2O2/c1-16-7-11-19(12-8-16)23-14-20(13-17-5-3-2-4-6-17)24(15-21(23)25)22(26)18-9-10-18/h2-8,11-12,18,20H,9-10,13-15H2,1H3.
What are the key properties of 5-benzyl-4-(cyclopropanecarbonyl)-1-(4-methylphenyl)piperazin-2-one?
5-benzyl-4-(cyclopropanecarbonyl)-1-(4-methylphenyl)piperazin-2-one has a molecular weight of 348.45 g/mol, XLogP of 3.19, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-benzyl-4-(cyclopropanecarbonyl)-1-(4-methylphenyl)piperazin-2-one is sourced from PubChem (CID 70728334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).